Geometry & MOs

Info

ID:	261083
PubChem CID:	103216609
Reduced:	OF3N3C9H14 (1)
Stoich.:	AB3C3D9E14 (1)
Weight, g/mol:	407.98902
ΔH_f, kcal/mol:	-164.16
Dipole, Da:	3.79
IP(EA), eV:	-9.04(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-iodophenyl)-1-isoquinolin-8-yl-N-methylmethanamine

Drug info:

PubChemData

Smile

CNC(COCC(F)(F)F)C1=NN(C=C1)C

DOS

IR

Vibrations